Theoretical Investigation on the Mechanism and Thermal Rate Constants for the Reaction of Atomic O (3P) with CHF2Cl

2003 ◽  
Vol 107 (17) ◽  
pp. 3069-3075 ◽  
Author(s):  
Qingzhu Zhang ◽  
Yueshu Gu ◽  
Shaokun Wang
Keyword(s):  
Theoretical Investigation ◽  
Rate Constants ◽  
Thermal Rate Constants

scholarly journals Theoretical investigation of the reaction mechanisms and kinetics of CFCl2CH2O2 and ClO in the atmosphere

RSC Advances ◽  
2020 ◽  
Vol 10 (44) ◽  
pp. 26433-26442
Author(s):  
Yunju Zhang ◽  
Bing He
Keyword(s):  
Theoretical Investigation ◽  
Rate Constants ◽  
Reaction Mechanisms ◽  
Basis Sets ◽  
Thermal Rate Constants ◽  
Product Distributions ◽  
Kinetics Of

The reaction between CFCl2CH2O2 radicals and ClO was studied using the B3LYP and CCSD(T) methods associated with the 6-311++G(d,p) and cc-pVTZ basis sets, and subsequently RRKM-TST theory was used to predict the thermal rate constants and product distributions.

Thermal rate constants for electron attachment to N2O: An example of endothermic attachment

2020 ◽  
Vol 153 (7) ◽  
pp. 074306
Author(s):  
Jordan C. Sawyer ◽  
Thomas M. Miller ◽  
Shaun G. Ard ◽  
Brendan C. Sweeny ◽  
Albert A. Viggiano ◽  
...  
Keyword(s):  
Rate Constants ◽  
Electron Attachment ◽  
Thermal Rate Constants

A time-dependent method for computing thermal rate constants

1987 ◽  
Vol 134 (6) ◽  
pp. 531-535 ◽  
Author(s):  
Göran Wahnström ◽  
Horia Metiu
Keyword(s):  
Rate Constants ◽  
Time Dependent ◽  
Thermal Rate Constants
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